Geometry & MOs

Info

ID:	429749
PubChem CID:	135169800
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	465.138574
ΔH_f, kcal/mol:	-14.21
Dipole, Da:	6.29
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3Z)-3-(aminomethylidene)-5,5,5-trifluoro-4-imidazo[1,2-a]pyrazin-8-yliminopent-1-en-2-yl]amino]-2-(triazol-2-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C=NC1=CN=CC2=CC=CC=C21

DOS

IR

Vibrations